2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine

C16H16F2N2O — CID 170730663

IUPAC2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cc(OCc2ccccc2)nc(C(C)(F)F)n1
InChIInChI=1S/C16H16F2N2O/c1-11(2)13-9-14(20-15(19-13)16(3,17)18)21-10-12-7-5-4-6-8-12/h4-9H,1,10H2,2-3H3
InChIKeyOOVKJPAIIOWHPY-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.20
Rot. Bonds5

About 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine

2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine (PubChem CID 170730663) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine
PubChem CID170730663
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cc(OCc2ccccc2)nc(C(C)(F)F)n1
InChIInChI=1S/C16H16F2N2O/c1-11(2)13-9-14(20-15(19-13)16(3,17)18)21-10-12-7-5-4-6-8-12/h4-9H,1,10H2,2-3H3
InChIKeyOOVKJPAIIOWHPY-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
[2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 165437540
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
CID 129054347
(6-phenylmethoxypyridazin-3-yl) trifluoromethanesulfonate
CID 87696274
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine?
The IUPAC name of 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine (CID 170730663) is 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine is C=C(C)c1cc(OCc2ccccc2)nc(C(C)(F)F)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine?
The InChIKey is OOVKJPAIIOWHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11(2)13-9-14(20-15(19-13)16(3,17)18)21-10-12-7-5-4-6-8-12/h4-9H,1,10H2,2-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine?
2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine has a molecular weight of 290.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 170730663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).