2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene

C18H20ClF — CID 135127582

IUPAC2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(CC(C)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H20ClF/c1-12(2)17-6-4-5-15(18(17)19)11-13(3)14-7-9-16(20)10-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyLXTPGHIMYFFZED-UHFFFAOYSA-N
MW290.81 g/mol
LogP5.95
Rot. Bonds4

About 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene

2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene (PubChem CID 135127582) has the molecular formula C18H20ClF and a molecular weight of 290.81 g/mol. Its IUPAC name is 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene
PubChem CID135127582
Molecular FormulaC18H20ClF
Molecular Weight290.81 g/mol
Exact Mass290.12
IUPAC Name2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(CC(C)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H20ClF/c1-12(2)17-6-4-5-15(18(17)19)11-13(3)14-7-9-16(20)10-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyLXTPGHIMYFFZED-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.81
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-[1-(2-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene
CID 130228150
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1-butan-2-yl-4-fluorobenzene
CID 11829648
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene
CID 167069074
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-ethyl-2-fluoro-3-(2-phenylpropyl)benzene
CID 130420615
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
[2-(2,3-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107312565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene?
The IUPAC name of 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene (CID 135127582) is 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene is CC(C)c1cccc(CC(C)c2ccc(F)cc2)c1Cl.
What is the InChIKey of 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene?
The InChIKey is LXTPGHIMYFFZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF/c1-12(2)17-6-4-5-15(18(17)19)11-13(3)14-7-9-16(20)10-8-14/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene?
2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene has a molecular weight of 290.81 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(4-fluorophenyl)propyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 135127582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).