(1S)-1-chloro-1-(trifluoromethoxy)ethane

C3H4ClF3O — CID 155273016

IUPAC(1S)-1-chloro-1-(trifluoromethoxy)ethane
SMILESC[C@H](Cl)OC(F)(F)F
InChIInChI=1S/C3H4ClF3O/c1-2(4)8-3(5,6)7/h2H,1H3/t2-/m1/s1
InChIKeyZXEVOJQWFHOQBF-UWTATZPHSA-N
MW148.51 g/mol
LogP2.11
Rot. Bonds1

About (1S)-1-chloro-1-(trifluoromethoxy)ethane

(1S)-1-chloro-1-(trifluoromethoxy)ethane (PubChem CID 155273016) has the molecular formula C3H4ClF3O and a molecular weight of 148.51 g/mol. Its IUPAC name is (1S)-1-chloro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name(1S)-1-chloro-1-(trifluoromethoxy)ethane
PubChem CID155273016
Molecular FormulaC3H4ClF3O
Molecular Weight148.51 g/mol
Exact Mass147.99
IUPAC Name(1S)-1-chloro-1-(trifluoromethoxy)ethane
SMILESC[C@H](Cl)OC(F)(F)F
InChIInChI=1S/C3H4ClF3O/c1-2(4)8-3(5,6)7/h2H,1H3/t2-/m1/s1
InChIKeyZXEVOJQWFHOQBF-UWTATZPHSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-(trifluoromethoxy)ethane
CID 89188692
3-(1-chloroethoxy)-1,1,1,2,2-pentafluoropropane
CID 14512779
1-bromo-2-chloro-1,1-difluoropropane
CID 91578112
1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
CID 162348184
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
1-chloroethoxysilane
CID 71329388
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973

Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-1-(trifluoromethoxy)ethane?
The IUPAC name of (1S)-1-chloro-1-(trifluoromethoxy)ethane (CID 155273016) is (1S)-1-chloro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for (1S)-1-chloro-1-(trifluoromethoxy)ethane?
The canonical SMILES for (1S)-1-chloro-1-(trifluoromethoxy)ethane is C[C@H](Cl)OC(F)(F)F.
What is the InChIKey of (1S)-1-chloro-1-(trifluoromethoxy)ethane?
The InChIKey is ZXEVOJQWFHOQBF-UWTATZPHSA-N. The full InChI is InChI=1S/C3H4ClF3O/c1-2(4)8-3(5,6)7/h2H,1H3/t2-/m1/s1.
What are the key properties of (1S)-1-chloro-1-(trifluoromethoxy)ethane?
(1S)-1-chloro-1-(trifluoromethoxy)ethane has a molecular weight of 148.51 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 155273016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).