1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol

C10H10ClFO — CID 117289585

IUPAC1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(Cl)c2CF)CC1
InChIInChI=1S/C10H10ClFO/c11-9-3-1-2-8(7(9)6-12)10(13)4-5-10/h1-3,13H,4-6H2
InChIKeyKSNWSBHMLXRJID-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.79
Rot. Bonds2

About 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol

1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol (PubChem CID 117289585) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol
PubChem CID117289585
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2cccc(Cl)c2CF)CC1
InChIInChI=1S/C10H10ClFO/c11-9-3-1-2-8(7(9)6-12)10(13)4-5-10/h1-3,13H,4-6H2
InChIKeyKSNWSBHMLXRJID-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117327900
1-[2-(fluoromethyl)phenyl]cyclopropan-1-ol
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CID 70612781
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CID 117103771
4-(2-chlorophenyl)oxan-4-ol
CID 63220219
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
CID 83824769
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
1-(3-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117276386
2-(1-aminocyclopropyl)-6-chlorophenol
CID 84732624

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol (CID 117289585) is 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol is OC1(c2cccc(Cl)c2CF)CC1.
What is the InChIKey of 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol?
The InChIKey is KSNWSBHMLXRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-9-3-1-2-8(7(9)6-12)10(13)4-5-10/h1-3,13H,4-6H2.
What are the key properties of 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol?
1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).