(2S)-2-ethoxy-1-fluorobutane

C6H13FO — CID 153031370

IUPAC(2S)-2-ethoxy-1-fluorobutane
SMILESCCO[C@@H](CC)CF
InChIInChI=1S/C6H13FO/c1-3-6(5-7)8-4-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVDWLMHLZUVSPFI-LURJTMIESA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-ethoxy-1-fluorobutane

(2S)-2-ethoxy-1-fluorobutane (PubChem CID 153031370) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is (2S)-2-ethoxy-1-fluorobutane.

Molecular Properties

Compound Name(2S)-2-ethoxy-1-fluorobutane
PubChem CID153031370
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name(2S)-2-ethoxy-1-fluorobutane
SMILESCCO[C@@H](CC)CF
InChIInChI=1S/C6H13FO/c1-3-6(5-7)8-4-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVDWLMHLZUVSPFI-LURJTMIESA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,5-difluoropentane
CID 54263170
(2S)-2-ethoxybutan-1-ol
CID 89167253
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
4-ethoxyhexan-1-amine
CID 21432824
benzene;1,2-diethoxybutane
CID 67553171
5-ethoxyheptan-1-ol
CID 15053038
3-ethoxypentanethioamide
CID 43175214
3-ethoxy-1,1,1,5-tetrafluoropentane
CID 54449728
ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen
CID 170582963
bis(5-ethoxyheptan-3-yl)-di(propan-2-yloxy)silane
CID 175828140
3-ethoxy-7-methyl-5-propan-2-ylnonane
CID 178133632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-1-fluorobutane?
The IUPAC name of (2S)-2-ethoxy-1-fluorobutane (CID 153031370) is (2S)-2-ethoxy-1-fluorobutane.
What is the SMILES notation for (2S)-2-ethoxy-1-fluorobutane?
The canonical SMILES for (2S)-2-ethoxy-1-fluorobutane is CCO[C@@H](CC)CF.
What is the InChIKey of (2S)-2-ethoxy-1-fluorobutane?
The InChIKey is VDWLMHLZUVSPFI-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FO/c1-3-6(5-7)8-4-2/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-ethoxy-1-fluorobutane?
(2S)-2-ethoxy-1-fluorobutane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-1-fluorobutane is sourced from PubChem (CID 153031370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).