3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene

C14H18F2O — CID 166931519

IUPAC3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(F)c1OCC1CC1
InChIInChI=1S/C14H18F2O/c1-9(2)7-11-5-6-12(15)13(16)14(11)17-8-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKSXGEUQNHSWVOB-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.95
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene

3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene (PubChem CID 166931519) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene
PubChem CID166931519
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(F)c(F)c1OCC1CC1
InChIInChI=1S/C14H18F2O/c1-9(2)7-11-5-6-12(15)13(16)14(11)17-8-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKSXGEUQNHSWVOB-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexylmethoxy)-3,4-difluoroaniline
CID 62531491
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]propan-2-amine
CID 153302379
8-(cyclopropylmethoxy)-4-ethyl-7-fluoroquinoline
CID 142399474
1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
CID 142399346
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
CID 155606915

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene?
The IUPAC name of 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene (CID 166931519) is 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene?
The canonical SMILES for 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(F)c(F)c1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene?
The InChIKey is KSXGEUQNHSWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-9(2)7-11-5-6-12(15)13(16)14(11)17-8-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene?
3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene has a molecular weight of 240.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene is sourced from PubChem (CID 166931519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).