1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol

C6H9F5O2 — CID 175408195

IUPAC1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol
SMILESOC(CF)C(F)OCCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-3-4(12)5(8)13-2-1-6(9,10)11/h4-5,12H,1-3H2
InChIKeyMVWICSZPHLJTFE-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.58
Rot. Bonds5

About 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol

1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol (PubChem CID 175408195) has the molecular formula C6H9F5O2 and a molecular weight of 208.13 g/mol. Its IUPAC name is 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol
PubChem CID175408195
Molecular FormulaC6H9F5O2
Molecular Weight208.13 g/mol
Exact Mass208.05
IUPAC Name1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol
SMILESOC(CF)C(F)OCCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-3-4(12)5(8)13-2-1-6(9,10)11/h4-5,12H,1-3H2
InChIKeyMVWICSZPHLJTFE-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 90800512
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
CID 82953620
3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
CID 126707171
2-(3,3,3-trifluoropropoxy)butanethioamide
CID 82954686
3-(3,3,3-trifluoropropoxy)but-1-yne
CID 54141524
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
1,2-difluoroethane;difluoromethane;sulfuryl difluoride;2-(3,3,3-trifluoropropoxy)butane
CID 91062928
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
3,3,3-trifluoropropyl carbamate
CID 3768992

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol?
The IUPAC name of 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol (CID 175408195) is 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol.
What is the SMILES notation for 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol?
The canonical SMILES for 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol is OC(CF)C(F)OCCC(F)(F)F.
What is the InChIKey of 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol?
The InChIKey is MVWICSZPHLJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O2/c7-3-4(12)5(8)13-2-1-6(9,10)11/h4-5,12H,1-3H2.
What are the key properties of 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol?
1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol has a molecular weight of 208.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol is sourced from PubChem (CID 175408195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).