(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen

C6H13FO — CID 177003690

IUPAC(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
SMILESC[C@H]1CCOC[C@H]1F.[H][H]
InChIInChI=1S/C6H11FO.H2/c1-5-2-3-8-4-6(5)7;/h5-6H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyKOYREIJRAKNMQA-RIHPBJNCSA-N
MW120.17 g/mol
LogP1.63
Rot. Bonds

About (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen

(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen (PubChem CID 177003690) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
PubChem CID177003690
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
SMILESC[C@H]1CCOC[C@H]1F.[H][H]
InChIInChI=1S/C6H11FO.H2/c1-5-2-3-8-4-6(5)7;/h5-6H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyKOYREIJRAKNMQA-RIHPBJNCSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methyloxan-3-yl)phosphane
CID 145112092
(3S)-3-cyclopropyl-4-methyloxane
CID 144510538
(3S)-3-methyloxolane
CID 7857636
ethane;3-methoxy-4-methyloxane
CID 143656491
(3-fluorooxan-4-yl)methanamine
CID 84648187
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
1,5-difluoro-2-methylcycloheptane
CID 138653554
[(3S,4R)-3-fluorooxan-4-yl] methanesulfonate
CID 99771020
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
(1S,2S,4R)-5-(4-tert-butyloxan-3-yl)-2-fluoro-4-methylcyclohexan-1-ol
CID 129305132
(1S)-1-fluoro-2-methylcyclobutane
CID 149484221

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen?
The IUPAC name of (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen (CID 177003690) is (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen?
The canonical SMILES for (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen is C[C@H]1CCOC[C@H]1F.[H][H].
What is the InChIKey of (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen?
The InChIKey is KOYREIJRAKNMQA-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H11FO.H2/c1-5-2-3-8-4-6(5)7;/h5-6H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen?
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen has a molecular weight of 120.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen is sourced from PubChem (CID 177003690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).