4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol

C9H16F3NO — CID 103604867

IUPAC4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol
SMILESOC1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2
InChIKeyDOCFNJSVLGEGHL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

About 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol

4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol (PubChem CID 103604867) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol
PubChem CID103604867
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol
SMILESOC1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2
InChIKeyDOCFNJSVLGEGHL-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexylamino)-1,1,1-trifluoropropan-2-ol
CID 3454746
2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
4-(Cyclooctylamino)cyclohexanol
CID 26458306
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
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 67483352
(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

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol (CID 103604867) is 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol is OC1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol?
The InChIKey is DOCFNJSVLGEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)5-6-13-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2.
What are the key properties of 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol?
4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)cyclohexan-1-ol is sourced from PubChem (CID 103604867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).