(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone

C16H14F2O2 — CID 63661997

IUPAC(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3
InChIKeyDQZRHJRHESJBSS-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.98
Rot. Bonds4

About (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone

(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 63661997) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID63661997
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3
InChIKeyDQZRHJRHESJBSS-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215314
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone (CID 63661997) is (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is DQZRHJRHESJBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3.
What are the key properties of (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 276.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 63661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).