3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol

C9H16F3NO — CID 80561243

IUPAC3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-4-8(14)3-1-2-7(13)6-8/h7,14H,1-6,13H2
InChIKeyXMXZYADHTSYNKF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.96
Rot. Bonds2

About 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol

3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol (PubChem CID 80561243) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol
PubChem CID80561243
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-4-8(14)3-1-2-7(13)6-8/h7,14H,1-6,13H2
InChIKeyXMXZYADHTSYNKF-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol (CID 80561243) is 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol is NC1CCCC(O)(CCC(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol?
The InChIKey is XMXZYADHTSYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)5-4-8(14)3-1-2-7(13)6-8/h7,14H,1-6,13H2.
What are the key properties of 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol?
3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol is sourced from PubChem (CID 80561243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).