(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C13H14F2O — CID 101380671

IUPAC(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(=C(F)F)[C@@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C13H14F2O/c1-8(13(14)15)12-10-5-3-2-4-9(10)6-7-11(12)16/h2-5,11-12,16H,6-7H2,1H3/t11-,12-/m1/s1
InChIKeyQGPQRVBHVIJFOR-VXGBXAGGSA-N
MW224.25 g/mol
LogP3.25
Rot. Bonds1

About (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 101380671) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID101380671
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(=C(F)F)[C@@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C13H14F2O/c1-8(13(14)15)12-10-5-3-2-4-9(10)6-7-11(12)16/h2-5,11-12,16H,6-7H2,1H3/t11-,12-/m1/s1
InChIKeyQGPQRVBHVIJFOR-VXGBXAGGSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11579465
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
CID 130981221
(8R,9S,13S,14S,16R,17S)-16-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 125471674
(1S,10S,12R,13S)-13-methyl-14-oxatricyclo[8.3.1.02,7]tetradeca-2,4,6-trien-12-ol
CID 102162860
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1R,2R)-1-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 14476580

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 101380671) is (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is CC(=C(F)F)[C@@H]1c2ccccc2CC[C@H]1O.
What is the InChIKey of (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is QGPQRVBHVIJFOR-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8(13(14)15)12-10-5-3-2-4-9(10)6-7-11(12)16/h2-5,11-12,16H,6-7H2,1H3/t11-,12-/m1/s1.
What are the key properties of (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 224.25 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 101380671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).