4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol

C12H22F3NO — CID 104925226

IUPAC4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C12H22F3NO/c1-9(3-2-8-12(13,14)15)16-10-4-6-11(17)7-5-10/h9-11,16-17H,2-8H2,1H3
InChIKeyYTGADZYIBVEBPX-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.00
Rot. Bonds5

About 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol

4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol (PubChem CID 104925226) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol
PubChem CID104925226
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C12H22F3NO/c1-9(3-2-8-12(13,14)15)16-10-4-6-11(17)7-5-10/h9-11,16-17H,2-8H2,1H3
InChIKeyYTGADZYIBVEBPX-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
4-(Methylamino)cyclohexan-1-ol
CID 11571804
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
4-(difluoromethoxy)-N-methylcyclohexan-1-amine
CID 59453686
(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
CID 59603982
(1S,2R,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357671
(1S,6R)-2,2-difluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357673
(1R,2R,6R)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357679
(1S,2S,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357687
(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
CID 121359009

Frequently Asked Questions

What is the IUPAC name of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol (CID 104925226) is 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol is CC(CCCC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol?
The InChIKey is YTGADZYIBVEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(3-2-8-12(13,14)15)16-10-4-6-11(17)7-5-10/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol?
4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 104925226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).