(3-chloro-4-fluoro-2-methylphenyl)phosphane

C7H7ClFP — CID 178005191

IUPAC(3-chloro-4-fluoro-2-methylphenyl)phosphane
SMILESCc1c(P)ccc(F)c1Cl
InChIInChI=1S/C7H7ClFP/c1-4-6(10)3-2-5(9)7(4)8/h2-3H,10H2,1H3
InChIKeyVPXZZQCJGSAXNI-UHFFFAOYSA-N
MW176.56 g/mol
LogP2.29
Rot. Bonds

About (3-chloro-4-fluoro-2-methylphenyl)phosphane

(3-chloro-4-fluoro-2-methylphenyl)phosphane (PubChem CID 178005191) has the molecular formula C7H7ClFP and a molecular weight of 176.56 g/mol. Its IUPAC name is (3-chloro-4-fluoro-2-methylphenyl)phosphane.

Molecular Properties

Compound Name(3-chloro-4-fluoro-2-methylphenyl)phosphane
PubChem CID178005191
Molecular FormulaC7H7ClFP
Molecular Weight176.56 g/mol
Exact Mass176.00
IUPAC Name(3-chloro-4-fluoro-2-methylphenyl)phosphane
SMILESCc1c(P)ccc(F)c1Cl
InChIInChI=1S/C7H7ClFP/c1-4-6(10)3-2-5(9)7(4)8/h2-3H,10H2,1H3
InChIKeyVPXZZQCJGSAXNI-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluoro-2-methylphenyl)phosphane
CID 178005158
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(2,3,4-trimethylphenyl)phosphane
CID 19864163
(4-fluoro-3-methyl-2-propan-2-ylphenyl)phosphane
CID 143190268
(2,3,4-trimethylphenyl)phosphane;hydrochloride
CID 173157555
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
CID 159195412
2-chloro-1-fluoro-3-iodo-4-methylbenzene
CID 130951000
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
2-chloro-4-fluoro-3-methylaniline
CID 13251510
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-2-methylphenyl)phosphane?
The IUPAC name of (3-chloro-4-fluoro-2-methylphenyl)phosphane (CID 178005191) is (3-chloro-4-fluoro-2-methylphenyl)phosphane.
What is the SMILES notation for (3-chloro-4-fluoro-2-methylphenyl)phosphane?
The canonical SMILES for (3-chloro-4-fluoro-2-methylphenyl)phosphane is Cc1c(P)ccc(F)c1Cl.
What is the InChIKey of (3-chloro-4-fluoro-2-methylphenyl)phosphane?
The InChIKey is VPXZZQCJGSAXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFP/c1-4-6(10)3-2-5(9)7(4)8/h2-3H,10H2,1H3.
What are the key properties of (3-chloro-4-fluoro-2-methylphenyl)phosphane?
(3-chloro-4-fluoro-2-methylphenyl)phosphane has a molecular weight of 176.56 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-2-methylphenyl)phosphane is sourced from PubChem (CID 178005191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).