3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol

C17H21F6NO — CID 10177110

IUPAC3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)c1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H21F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h4-6,9,14-15,25H,1-3,7-8,10-11H2
InChIKeyDCWROAPCXOTPGD-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.76
Rot. Bonds5

About 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol

3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 10177110) has the molecular formula C17H21F6NO and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID10177110
Molecular FormulaC17H21F6NO
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1cccc(C(F)(F)F)c1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H21F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h4-6,9,14-15,25H,1-3,7-8,10-11H2
InChIKeyDCWROAPCXOTPGD-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
3-[3,4-difluoro-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 24886306
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
3-[N-(1-cyclohexyl-2,2,3,3,3-pentafluoropropyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]anilino]-1,1,1-trifluoropropan-2-ol
CID 87873277
2-methyl-1-[piperidin-4-yl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 135384501
1,1,1-trifluoro-3-[3-methoxy-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24888195
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 144887966
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol (CID 10177110) is 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol is OC(CN(Cc1cccc(C(F)(F)F)c1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DCWROAPCXOTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F6NO/c18-16(19,20)13-6-4-5-12(9-13)10-24(11-15(25)17(21,22)23)14-7-2-1-3-8-14/h4-6,9,14-15,25H,1-3,7-8,10-11H2.
What are the key properties of 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 369.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 10177110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).