(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol

C6H10ClF3O — CID 174010712

IUPAC(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol
SMILESCC(Cl)[C@H](CCO)C(F)(F)F
InChIInChI=1S/C6H10ClF3O/c1-4(7)5(2-3-11)6(8,9)10/h4-5,11H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyUQOXWPVJZYNONS-AKGZTFGVSA-N
MW190.59 g/mol
LogP2.17
Rot. Bonds3

About (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol

(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol (PubChem CID 174010712) has the molecular formula C6H10ClF3O and a molecular weight of 190.59 g/mol. Its IUPAC name is (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol
PubChem CID174010712
Molecular FormulaC6H10ClF3O
Molecular Weight190.59 g/mol
Exact Mass190.04
IUPAC Name(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol
SMILESCC(Cl)[C@H](CCO)C(F)(F)F
InChIInChI=1S/C6H10ClF3O/c1-4(7)5(2-3-11)6(8,9)10/h4-5,11H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyUQOXWPVJZYNONS-AKGZTFGVSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol?
The IUPAC name of (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol (CID 174010712) is (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol is CC(Cl)[C@H](CCO)C(F)(F)F.
What is the InChIKey of (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol?
The InChIKey is UQOXWPVJZYNONS-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H10ClF3O/c1-4(7)5(2-3-11)6(8,9)10/h4-5,11H,2-3H2,1H3/t4?,5-/m0/s1.
What are the key properties of (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol?
(3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol has a molecular weight of 190.59 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-chloro-3-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 174010712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).