(2S)-1,1,1-trifluoro-2-methoxypropane

C4H7F3O — CID 89465865

IUPAC(2S)-1,1,1-trifluoro-2-methoxypropane
SMILESCO[C@@H](C)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3/t3-/m0/s1
InChIKeyKVRDTYTVCCKIMF-VKHMYHEASA-N
MW128.09 g/mol
LogP1.58
Rot. Bonds1

About (2S)-1,1,1-trifluoro-2-methoxypropane

(2S)-1,1,1-trifluoro-2-methoxypropane (PubChem CID 89465865) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-methoxypropane.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-methoxypropane
PubChem CID89465865
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name(2S)-1,1,1-trifluoro-2-methoxypropane
SMILESCO[C@@H](C)C(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3/t3-/m0/s1
InChIKeyKVRDTYTVCCKIMF-VKHMYHEASA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Hexafluoroisopropyl methyl ether
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2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
Difluormethyl-ather
CID 10464348
1,1,1,2,2-Pentafluoro-3-methoxypropane
CID 2776015
2-(Difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 10932890
Methyl 3H-perfluoroisopropyl ether
CID 13332851
2-(Trifluoromethoxy)propane
CID 21068678
Isopropyl fluoromethyl ether
CID 21954138
1,1,1-Trifluoro-2-methoxy-propane
CID 22022770

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-methoxypropane?
The IUPAC name of (2S)-1,1,1-trifluoro-2-methoxypropane (CID 89465865) is (2S)-1,1,1-trifluoro-2-methoxypropane.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-methoxypropane?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-methoxypropane is CO[C@@H](C)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-methoxypropane?
The InChIKey is KVRDTYTVCCKIMF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7F3O/c1-3(8-2)4(5,6)7/h3H,1-2H3/t3-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-methoxypropane?
(2S)-1,1,1-trifluoro-2-methoxypropane has a molecular weight of 128.09 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-methoxypropane is sourced from PubChem (CID 89465865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).