1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene

C19H22ClF — CID 155445804

IUPAC1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
SMILESCC(Cc1ccc(C(C)(C)C)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClF/c1-13(15-6-8-16(20)9-7-15)11-14-5-10-17(18(21)12-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3
InChIKeyRSHRTEXXZRWHNN-UHFFFAOYSA-N
MW304.84 g/mol
LogP6.12
Rot. Bonds3

About 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene

1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene (PubChem CID 155445804) has the molecular formula C19H22ClF and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
PubChem CID155445804
Molecular FormulaC19H22ClF
Molecular Weight304.84 g/mol
Exact Mass304.14
IUPAC Name1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
SMILESCC(Cc1ccc(C(C)(C)C)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClF/c1-13(15-6-8-16(20)9-7-15)11-14-5-10-17(18(21)12-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3
InChIKeyRSHRTEXXZRWHNN-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.84
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-4-(2-phenylpropyl)benzene
CID 101326630
1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
CID 142807623
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
2-amino-3-(4-tert-butyl-3-fluorophenyl)propanoic acid
CID 84799729
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
4-tert-butyl-2-chloro-1-[2-(4-chlorophenyl)propyl]benzene
CID 138716717
1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
CID 101326632
1,2-ditert-butyl-4-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326761
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene?
The IUPAC name of 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene (CID 155445804) is 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene?
The canonical SMILES for 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene is CC(Cc1ccc(C(C)(C)C)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene?
The InChIKey is RSHRTEXXZRWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF/c1-13(15-6-8-16(20)9-7-15)11-14-5-10-17(18(21)12-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene?
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene has a molecular weight of 304.84 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene is sourced from PubChem (CID 155445804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).