(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol

C10H17F3O — CID 163494500

IUPAC(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
SMILESC[C@H](O)CC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h7-9,14H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyCPNMUWAOWPAISE-UEJVZZJDSA-N
MW210.24 g/mol
LogP3.13
Rot. Bonds2

About (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol

(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol (PubChem CID 163494500) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
PubChem CID163494500
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
SMILESC[C@H](O)CC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h7-9,14H,2-6H2,1H3/t7-,8?,9?/m0/s1
InChIKeyCPNMUWAOWPAISE-UEJVZZJDSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The IUPAC name of (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol (CID 163494500) is (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol is C[C@H](O)CC1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
The InChIKey is CPNMUWAOWPAISE-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h7-9,14H,2-6H2,1H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol?
(2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol has a molecular weight of 210.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(trifluoromethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 163494500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).