2-chloro-4-fluorocyclohexan-1-ol

C6H10ClFO — CID 148830369

IUPAC2-chloro-4-fluorocyclohexan-1-ol
SMILESOC1CCC(F)CC1Cl
InChIInChI=1S/C6H10ClFO/c7-5-3-4(8)1-2-6(5)9/h4-6,9H,1-3H2
InChIKeyHNTWKFBKDDBLFY-UHFFFAOYSA-N
MW152.60 g/mol
LogP1.48
Rot. Bonds

About 2-chloro-4-fluorocyclohexan-1-ol

2-chloro-4-fluorocyclohexan-1-ol (PubChem CID 148830369) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is 2-chloro-4-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name2-chloro-4-fluorocyclohexan-1-ol
PubChem CID148830369
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name2-chloro-4-fluorocyclohexan-1-ol
SMILESOC1CCC(F)CC1Cl
InChIInChI=1S/C6H10ClFO/c7-5-3-4(8)1-2-6(5)9/h4-6,9H,1-3H2
InChIKeyHNTWKFBKDDBLFY-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.48
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 2-chloro-4-fluorocyclohexan-1-ol?
The IUPAC name of 2-chloro-4-fluorocyclohexan-1-ol (CID 148830369) is 2-chloro-4-fluorocyclohexan-1-ol.
What is the SMILES notation for 2-chloro-4-fluorocyclohexan-1-ol?
The canonical SMILES for 2-chloro-4-fluorocyclohexan-1-ol is OC1CCC(F)CC1Cl.
What is the InChIKey of 2-chloro-4-fluorocyclohexan-1-ol?
The InChIKey is HNTWKFBKDDBLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO/c7-5-3-4(8)1-2-6(5)9/h4-6,9H,1-3H2.
What are the key properties of 2-chloro-4-fluorocyclohexan-1-ol?
2-chloro-4-fluorocyclohexan-1-ol has a molecular weight of 152.60 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluorocyclohexan-1-ol is sourced from PubChem (CID 148830369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).