(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane

C8H8F3OP — CID 130350721

IUPAC(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane
SMILESCOc1c(F)c(F)c(C)c(P)c1F
InChIInChI=1S/C8H8F3OP/c1-3-4(9)5(10)7(12-2)6(11)8(3)13/h13H2,1-2H3
InChIKeyYBZDGGQFGSTJHO-UHFFFAOYSA-N
MW208.12 g/mol
LogP1.92
Rot. Bonds1

About (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane

(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane (PubChem CID 130350721) has the molecular formula C8H8F3OP and a molecular weight of 208.12 g/mol. Its IUPAC name is (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane.

Molecular Properties

Compound Name(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane
PubChem CID130350721
Molecular FormulaC8H8F3OP
Molecular Weight208.12 g/mol
Exact Mass208.03
IUPAC Name(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane
SMILESCOc1c(F)c(F)c(C)c(P)c1F
InChIInChI=1S/C8H8F3OP/c1-3-4(9)5(10)7(12-2)6(11)8(3)13/h13H2,1-2H3
InChIKeyYBZDGGQFGSTJHO-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
CID 130441398
(2,3,5,6-tetrafluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045759
1-(2,4,5-trifluoro-3-methoxy-6-methylphenyl)propan-1-one
CID 91055642
1,2-dichloro-3,4,6-trifluoro-5-methoxybenzene
CID 71389282
2,4,5-trifluoro-6-methoxy-3-methylbenzoic acid
CID 23284714
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2,3,5,6-tetrafluoro-N,4-dimethoxyaniline
CID 87932656
1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 71669119
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol
CID 14520266
(2,6-dibromo-5-fluoro-4-methoxy-3-pyridinyl)phosphane
CID 155780437
N-[1-(2,3,5-trifluoro-4-methoxy-6-sulfanylphenyl)ethylidene]hydroxylamine
CID 174559775

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane?
The IUPAC name of (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane (CID 130350721) is (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane.
What is the SMILES notation for (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane?
The canonical SMILES for (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane is COc1c(F)c(F)c(C)c(P)c1F.
What is the InChIKey of (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane?
The InChIKey is YBZDGGQFGSTJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3OP/c1-3-4(9)5(10)7(12-2)6(11)8(3)13/h13H2,1-2H3.
What are the key properties of (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane?
(2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane has a molecular weight of 208.12 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trifluoro-3-methoxy-6-methylphenyl)phosphane is sourced from PubChem (CID 130350721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).