1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane

C13H14F2 — CID 140989722

IUPAC1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
SMILESFc1ccc(CC23CCCC2C3)c(F)c1
InChIInChI=1S/C13H14F2/c14-11-4-3-9(12(15)6-11)7-13-5-1-2-10(13)8-13/h3-4,6,10H,1-2,5,7-8H2
InChIKeyQRLXLIIOQKHUHR-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.70
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane

1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane (PubChem CID 140989722) has the molecular formula C13H14F2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
PubChem CID140989722
Molecular FormulaC13H14F2
Molecular Weight208.25 g/mol
Exact Mass208.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
SMILESFc1ccc(CC23CCCC2C3)c(F)c1
InChIInChI=1S/C13H14F2/c14-11-4-3-9(12(15)6-11)7-13-5-1-2-10(13)8-13/h3-4,6,10H,1-2,5,7-8H2
InChIKeyQRLXLIIOQKHUHR-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65401902
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873605
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine
CID 112571305

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane (CID 140989722) is 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane is Fc1ccc(CC23CCCC2C3)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane?
The InChIKey is QRLXLIIOQKHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2/c14-11-4-3-9(12(15)6-11)7-13-5-1-2-10(13)8-13/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane?
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane has a molecular weight of 208.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane is sourced from PubChem (CID 140989722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).