(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol

C8H14F3NO — CID 7084590

IUPAC(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNC1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/t7-/m0/s1
InChIKeyFAKWNOGFHXWHFU-ZETCQYMHSA-N
MW197.20 g/mol
LogP1.44
Rot. Bonds3

About (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol

(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 7084590) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID7084590
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CNC1CCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/t7-/m0/s1
InChIKeyFAKWNOGFHXWHFU-ZETCQYMHSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol (CID 7084590) is (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol is O[C@@H](CNC1CCCC1)C(F)(F)F.
What is the InChIKey of (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is FAKWNOGFHXWHFU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-12-6-3-1-2-4-6/h6-7,12-13H,1-5H2/t7-/m0/s1.
What are the key properties of (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(cyclopentylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 7084590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).