1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene

C10H7F3O — CID 75406590

IUPAC1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H7F3O/c1-2-3-7-4-5-9(8(11)6-7)14-10(12)13/h1,4-6,10H,3H2
InChIKeyMNAMUMCHISRQEL-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.60
Rot. Bonds3

About 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene

1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene (PubChem CID 75406590) has the molecular formula C10H7F3O and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
PubChem CID75406590
Molecular FormulaC10H7F3O
Molecular Weight200.16 g/mol
Exact Mass200.04
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H7F3O/c1-2-3-7-4-5-9(8(11)6-7)14-10(12)13/h1,4-6,10H,3H2
InChIKeyMNAMUMCHISRQEL-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-4-ethynyl-2-fluorobenzene
CID 19690533
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 54572346
[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
CID 109396354
4-(difluoromethoxy)-3-fluoro-N-propylaniline
CID 60942479
4-(difluoromethoxy)-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 54864229
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene (CID 75406590) is 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene is C#CCc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene?
The InChIKey is MNAMUMCHISRQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O/c1-2-3-7-4-5-9(8(11)6-7)14-10(12)13/h1,4-6,10H,3H2.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene?
1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene has a molecular weight of 200.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-prop-2-ynylbenzene is sourced from PubChem (CID 75406590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).