1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene

C14H18F2 — CID 146290350

IUPAC1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(C(C)(F)F)CC2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)11-4-6-12(7-5-11)14(8-9-14)13(3,15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyKZDDIVRDQYEEGS-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.50
Rot. Bonds3

About 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene

1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene (PubChem CID 146290350) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene
PubChem CID146290350
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(C(C)(F)F)CC2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)11-4-6-12(7-5-11)14(8-9-14)13(3,15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyKZDDIVRDQYEEGS-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-propan-2-ylphenyl)-2-(trifluoromethyl)oxetane
CID 167219163
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594437
4-tert-butyl-4-[4-[3-(4-propan-2-ylphenyl)phenyl]phenyl]piperidine
CID 170075562
methane;1-propan-2-yl-4-(4-propan-2-ylphenyl)bicyclo[2.2.2]octane
CID 159261461
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
N-methylsulfanyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine
CID 130381299
1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
CID 82083786
1-(4-propan-2-ylphenyl)cyclopent-3-en-1-amine
CID 65353110
4-fluoro-4-(4-propan-2-ylphenyl)azepane
CID 113361786
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene (CID 146290350) is 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene is CC(C)c1ccc(C2(C(C)(F)F)CC2)cc1.
What is the InChIKey of 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene?
The InChIKey is KZDDIVRDQYEEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-10(2)11-4-6-12(7-5-11)14(8-9-14)13(3,15)16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene?
1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene has a molecular weight of 224.29 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 146290350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).