1,1,2-trifluoro-3-(trifluoromethoxy)propane

C4H4F6O — CID 19063472

IUPAC1,1,2-trifluoro-3-(trifluoromethoxy)propane
SMILESFC(F)C(F)COC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2(3(6)7)1-11-4(8,9)10/h2-3H,1H2
InChIKeyAYJCZFXTLKAVKJ-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds3

About 1,1,2-trifluoro-3-(trifluoromethoxy)propane

1,1,2-trifluoro-3-(trifluoromethoxy)propane (PubChem CID 19063472) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,2-trifluoro-3-(trifluoromethoxy)propane
PubChem CID19063472
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,2-trifluoro-3-(trifluoromethoxy)propane
SMILESFC(F)C(F)COC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2(3(6)7)1-11-4(8,9)10/h2-3H,1H2
InChIKeyAYJCZFXTLKAVKJ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2-trifluoro-3-(trifluoromethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
CID 146160519
1-(difluoromethoxy)-2,2-difluoro-3-(trifluoromethoxy)propane
CID 177367821
3-methyl-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139327187
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
CID 58219567
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350
bis(2,3,3-trifluoropropyl) hydrogen phosphate
CID 159316002
trifluoromethoxymethanethiol
CID 87205661
1,3-bis(trifluoromethoxy)propan-2-yl 2,2-dimethylpropanoate
CID 146641183
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-(trifluoromethoxy)propane?
The IUPAC name of 1,1,2-trifluoro-3-(trifluoromethoxy)propane (CID 19063472) is 1,1,2-trifluoro-3-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,2-trifluoro-3-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,2-trifluoro-3-(trifluoromethoxy)propane is FC(F)C(F)COC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-(trifluoromethoxy)propane?
The InChIKey is AYJCZFXTLKAVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-2(3(6)7)1-11-4(8,9)10/h2-3H,1H2.
What are the key properties of 1,1,2-trifluoro-3-(trifluoromethoxy)propane?
1,1,2-trifluoro-3-(trifluoromethoxy)propane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-(trifluoromethoxy)propane is sourced from PubChem (CID 19063472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).