2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol

C9H16F2O2 — CID 162570891

IUPAC2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
SMILESCC1(CC(F)(F)CO)CCCCO1
InChIInChI=1S/C9H16F2O2/c1-8(4-2-3-5-13-8)6-9(10,11)7-12/h12H,2-7H2,1H3
InChIKeyVHUDBEHGPSUMJO-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.96
Rot. Bonds3

About 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol

2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol (PubChem CID 162570891) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
PubChem CID162570891
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
SMILESCC1(CC(F)(F)CO)CCCCO1
InChIInChI=1S/C9H16F2O2/c1-8(4-2-3-5-13-8)6-9(10,11)7-12/h12H,2-7H2,1H3
InChIKeyVHUDBEHGPSUMJO-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-butyl-2-methyloxane
CID 13494550
2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-hexyl-2-methyloxane
CID 67835603
2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
CID 81419974
2-methyl-2-[(2-methyloxolan-2-yl)methoxymethyl]oxolane
CID 66639597
propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 173308230
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
4,4,4-trifluoro-N-[(2-methyloxolan-2-yl)methyl]butan-1-amine
CID 115513806
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(2-methyloxan-2-yl)methyl]urea
CID 138025214
methyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 174774289

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol (CID 162570891) is 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol is CC1(CC(F)(F)CO)CCCCO1.
What is the InChIKey of 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol?
The InChIKey is VHUDBEHGPSUMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-8(4-2-3-5-13-8)6-9(10,11)7-12/h12H,2-7H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol?
2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol has a molecular weight of 194.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol is sourced from PubChem (CID 162570891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).