ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol

C9H14F3NO — CID 164602682

IUPACethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
SMILESCC.OCC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H8F3NO.C2H6/c8-7(9,10)6-3-5(4-12)1-2-11-6;1-2/h1-3,6,11-12H,4H2;1-2H3
InChIKeyPJHLYBDBRJMTNM-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.98
Rot. Bonds1

About ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol

ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol (PubChem CID 164602682) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
PubChem CID164602682
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Nameethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
SMILESCC.OCC1=CC(C(F)(F)F)NC=C1
InChIInChI=1S/C7H8F3NO.C2H6/c8-7(9,10)6-3-5(4-12)1-2-11-6;1-2/h1-3,6,11-12H,4H2;1-2H3
InChIKeyPJHLYBDBRJMTNM-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Fluoro-2-methyl-1,2-dihydropyridin-3-yl)methanol
CID 90434033
5-Methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-ol
CID 132251405
(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol
CID 139506613
2-Methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol
CID 141299344
5-(Trifluoromethyl)-1,2-dihydropyridin-2-ol
CID 144434606
[(6Z)-5-amino-2-fluoro-6-(methylaminomethylidene)cyclohexa-1,3-dien-1-yl]methanol
CID 145509326
(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol
CID 163555305
6-Methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-ol
CID 163755331
[6-(1,1-Difluoroethyl)-1,2-dihydropyridin-4-yl]methanediol
CID 169941234
1-(1,2-Dihydropyridin-5-yl)-2,2,2-trifluoroethanol
CID 173652889
(Z,2E)-2-[(difluoromethylamino)methylidene]-4-methylhex-3-en-1-ol
CID 173848449
4-(2,2,2-Trifluoro-1-hydroxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 143808998

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The IUPAC name of ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol (CID 164602682) is ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol.
What is the SMILES notation for ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The canonical SMILES for ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol is CC.OCC1=CC(C(F)(F)F)NC=C1.
What is the InChIKey of ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
The InChIKey is PJHLYBDBRJMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO.C2H6/c8-7(9,10)6-3-5(4-12)1-2-11-6;1-2/h1-3,6,11-12H,4H2;1-2H3.
What are the key properties of ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol?
ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol has a molecular weight of 209.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol is sourced from PubChem (CID 164602682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).