3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol

C12H14F2O2 — CID 116841059

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
SMILESOCCC(F)(F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H14F2O2/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8,15H,1-2,5-7H2
InChIKeySIYFZQRZRATHLM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.49
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol (PubChem CID 116841059) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
PubChem CID116841059
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
SMILESOCCC(F)(F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H14F2O2/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8,15H,1-2,5-7H2
InChIKeySIYFZQRZRATHLM-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
CID 98017830
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol (CID 116841059) is 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol is OCCC(F)(F)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol?
The InChIKey is SIYFZQRZRATHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-12(14,5-6-15)10-3-4-11-9(8-10)2-1-7-16-11/h3-4,8,15H,1-2,5-7H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol?
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol is sourced from PubChem (CID 116841059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).