1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine

C16H17F2NO — CID 141220740

IUPAC1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine
SMILESFC(F)C1C=CC(OCc2ccccc2)=CN1C1CC1
InChIInChI=1S/C16H17F2NO/c17-16(18)15-9-8-14(10-19(15)13-6-7-13)20-11-12-4-2-1-3-5-12/h1-5,8-10,13,15-16H,6-7,11H2
InChIKeyIFJYEQUVOBTBGB-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.71
Rot. Bonds5

About 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine

1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine (PubChem CID 141220740) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine.

Molecular Properties

Compound Name1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine
PubChem CID141220740
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine
SMILESFC(F)C1C=CC(OCc2ccccc2)=CN1C1CC1
InChIInChI=1S/C16H17F2NO/c17-16(18)15-9-8-14(10-19(15)13-6-7-13)20-11-12-4-2-1-3-5-12/h1-5,8-10,13,15-16H,6-7,11H2
InChIKeyIFJYEQUVOBTBGB-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine
CID 164673224
N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine
CID 164673622
1-Propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 13633838
4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine
CID 20662454
N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine
CID 58019338
4-Benzyloxy-1-cyclopropylmethyl-3-trifluoromethyl-1H-pyridin-2-one
CID 59497113
5-Benzyloxy-1-cyclopropyl-2-difluoromethyl-1H-pyridin-4-one
CID 67282255
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1-prop-2-enyl-2H-pyridine
CID 69063976
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-prop-2-enyl-2H-pyridine
CID 69063978
9-phenylmethoxy-N,N-bis(trifluoromethyl)nonan-1-amine
CID 87639485
6-phenylmethoxy-N,N-bis(3,3,3-trifluoropropyl)hexan-1-amine
CID 89127107
N-(cyclopropylmethyl)-N-[[2-methyl-4-phenylmethoxy-3-(trifluoromethyl)hex-3-enyl]diazenyl]ethanamine
CID 123305168

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine?
The IUPAC name of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine (CID 141220740) is 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine.
What is the SMILES notation for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine?
The canonical SMILES for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine is FC(F)C1C=CC(OCc2ccccc2)=CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine?
The InChIKey is IFJYEQUVOBTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-16(18)15-9-8-14(10-19(15)13-6-7-13)20-11-12-4-2-1-3-5-12/h1-5,8-10,13,15-16H,6-7,11H2.
What are the key properties of 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine?
1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine has a molecular weight of 277.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(difluoromethyl)-5-phenylmethoxy-2H-pyridine is sourced from PubChem (CID 141220740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).