(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane

C9H15FO — CID 161123473

IUPAC(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane
SMILESC=C1O[C@H](CC)[C@H](C)C1(C)F
InChIInChI=1S/C9H15FO/c1-5-8-6(2)9(4,10)7(3)11-8/h6,8H,3,5H2,1-2,4H3/t6-,8+,9?/m0/s1
InChIKeyULGFLWMTPBKBHA-DZESUTGNSA-N
MW158.22 g/mol
LogP2.67
Rot. Bonds1

About (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane

(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane (PubChem CID 161123473) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane
PubChem CID161123473
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane
SMILESC=C1O[C@H](CC)[C@H](C)C1(C)F
InChIInChI=1S/C9H15FO/c1-5-8-6(2)9(4,10)7(3)11-8/h6,8H,3,5H2,1-2,4H3/t6-,8+,9?/m0/s1
InChIKeyULGFLWMTPBKBHA-DZESUTGNSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5,5-Difluoropent-4-en-2-yl)oxolane
CID 89796346
(5S)-3-ethyl-5-methyl-2-methylideneoxolane
CID 89000804
(3R,5S)-5-methyl-2-methylidene-3-propyloxolane
CID 89001333
(3R)-3-ethyl-5-methyl-2-methylideneoxolane
CID 89001479
2,3-Diethyl-5-methylideneoxolane
CID 90756822
2,3,4-Trimethyl-5-methylideneoxolane
CID 126607192
2-Methylidene-4-propyloxolane
CID 129255933
(4R)-2-methylidene-4-propyloxolane
CID 134574950
3-Ethyl-5-methyl-2-methylideneoxolane
CID 143081075
2-Methylidene-4-propan-2-yloxolane
CID 154592637
2-Methylidene-5-propan-2-yloxolane
CID 154592642
2-Methylidene-3-propan-2-yloxolane
CID 154592647

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane?
The IUPAC name of (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane (CID 161123473) is (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane.
What is the SMILES notation for (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane?
The canonical SMILES for (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane is C=C1O[C@H](CC)[C@H](C)C1(C)F.
What is the InChIKey of (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane?
The InChIKey is ULGFLWMTPBKBHA-DZESUTGNSA-N. The full InChI is InChI=1S/C9H15FO/c1-5-8-6(2)9(4,10)7(3)11-8/h6,8H,3,5H2,1-2,4H3/t6-,8+,9?/m0/s1.
What are the key properties of (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane?
(4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane has a molecular weight of 158.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethyl-3-fluoro-3,4-dimethyl-2-methylideneoxolane is sourced from PubChem (CID 161123473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).