2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol

C11H20F3NO — CID 176871800

IUPAC2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC(C)N(C1CCCC1)C(CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)15(9-5-3-4-6-9)10(7-16)11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyRANAVQGOYGFUSB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.56
Rot. Bonds4

About 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol

2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol (PubChem CID 176871800) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
PubChem CID176871800
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC(C)N(C1CCCC1)C(CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)15(9-5-3-4-6-9)10(7-16)11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyRANAVQGOYGFUSB-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine
CID 43752659
2-N-cyclopentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 83817405
3-N-cycloheptyl-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753188
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol
CID 102859840
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997531
cyclopentyl(1-hydroxypropan-2-yl)carbamic acid
CID 69264268
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
CID 64758568
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310161

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol (CID 176871800) is 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol is CC(C)N(C1CCCC1)C(CO)C(F)(F)F.
What is the InChIKey of 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is RANAVQGOYGFUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)15(9-5-3-4-6-9)10(7-16)11(12,13)14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 176871800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).