(4R)-2-(fluoromethyl)-4-methyloxane

C7H13FO — CID 170380668

IUPAC(4R)-2-(fluoromethyl)-4-methyloxane
SMILESC[C@@H]1CCOC(CF)C1
InChIInChI=1S/C7H13FO/c1-6-2-3-9-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeySZNRYEJFOMKTNT-ULUSZKPHSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds1

About (4R)-2-(fluoromethyl)-4-methyloxane

(4R)-2-(fluoromethyl)-4-methyloxane (PubChem CID 170380668) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (4R)-2-(fluoromethyl)-4-methyloxane.

Molecular Properties

Compound Name(4R)-2-(fluoromethyl)-4-methyloxane
PubChem CID170380668
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(4R)-2-(fluoromethyl)-4-methyloxane
SMILESC[C@@H]1CCOC(CF)C1
InChIInChI=1S/C7H13FO/c1-6-2-3-9-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeySZNRYEJFOMKTNT-ULUSZKPHSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
4-methyl-2-(2,3,3-trichloroprop-2-enyl)oxane
CID 54001298
2-methyl-3-(4-methyloxan-2-yl)propanal
CID 130025863
(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
2-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
CID 11159712
3-[[(4S)-4-methyloxan-2-yl]methyl]piperidine
CID 138580415
(2S)-2-(fluoromethyl)oxane
CID 126712338
acetylene;2,4-dimethyloxane
CID 142252938
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2,4-dimethyloxane;methane;methanol
CID 145467505
2-ethylsulfanyl-4-methyloxane
CID 123504399

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(fluoromethyl)-4-methyloxane?
The IUPAC name of (4R)-2-(fluoromethyl)-4-methyloxane (CID 170380668) is (4R)-2-(fluoromethyl)-4-methyloxane.
What is the SMILES notation for (4R)-2-(fluoromethyl)-4-methyloxane?
The canonical SMILES for (4R)-2-(fluoromethyl)-4-methyloxane is C[C@@H]1CCOC(CF)C1.
What is the InChIKey of (4R)-2-(fluoromethyl)-4-methyloxane?
The InChIKey is SZNRYEJFOMKTNT-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13FO/c1-6-2-3-9-7(4-6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (4R)-2-(fluoromethyl)-4-methyloxane?
(4R)-2-(fluoromethyl)-4-methyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(fluoromethyl)-4-methyloxane is sourced from PubChem (CID 170380668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).