1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol

C11H12ClFO — CID 117305955

IUPAC1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol
SMILESCCc1cc(C2(O)CC2)cc(Cl)c1F
InChIInChI=1S/C11H12ClFO/c1-2-7-5-8(11(14)3-4-11)6-9(12)10(7)13/h5-6,14H,2-4H2,1H3
InChIKeyJIRUYHKDZNRNFF-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol

1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol (PubChem CID 117305955) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol
PubChem CID117305955
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol
SMILESCCc1cc(C2(O)CC2)cc(Cl)c1F
InChIInChI=1S/C11H12ClFO/c1-2-7-5-8(11(14)3-4-11)6-9(12)10(7)13/h5-6,14H,2-4H2,1H3
InChIKeyJIRUYHKDZNRNFF-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
CID 117308733
3-chloro-5-ethyl-4-fluorobenzonitrile
CID 117279673
1-(3-chloro-4-methylsulfanyl-5-methylsulfonylphenyl)cyclopropan-1-ol
CID 117472740
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
CID 107993183
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
CID 117331420
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol (CID 117305955) is 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol is CCc1cc(C2(O)CC2)cc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol?
The InChIKey is JIRUYHKDZNRNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-2-7-5-8(11(14)3-4-11)6-9(12)10(7)13/h5-6,14H,2-4H2,1H3.
What are the key properties of 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol?
1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 117305955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).