1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene

C12H14F2 — CID 167340119

IUPAC1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene
SMILESCC(C)[C@H]1C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C12H14F2/c1-7(2)9-6-10(9)11-5-8(13)3-4-12(11)14/h3-5,7,9-10H,6H2,1-2H3/t9-,10+/m1/s1
InChIKeyDLLATSFRCKXFFS-ZJUUUORDSA-N
MW196.24 g/mol
LogP3.72
Rot. Bonds2

About 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene

1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene (PubChem CID 167340119) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene
PubChem CID167340119
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene
SMILESCC(C)[C@H]1C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C12H14F2/c1-7(2)9-6-10(9)11-5-8(13)3-4-12(11)14/h3-5,7,9-10H,6H2,1-2H3/t9-,10+/m1/s1
InChIKeyDLLATSFRCKXFFS-ZJUUUORDSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 93284927
1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 43312619
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
(1S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 124747142
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 29079347
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011940
2-fluoro-1-[(1S,2R)-2-propan-2-ylcyclopropyl]-4-(trifluoromethyl)benzene
CID 167340103
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene?
The IUPAC name of 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene (CID 167340119) is 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene is CC(C)[C@H]1C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene?
The InChIKey is DLLATSFRCKXFFS-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H14F2/c1-7(2)9-6-10(9)11-5-8(13)3-4-12(11)14/h3-5,7,9-10H,6H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene?
1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene has a molecular weight of 196.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene is sourced from PubChem (CID 167340119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).