[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol

C7H13FO2 — CID 142391496

IUPAC[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)CCO1
InChIInChI=1S/C7H13FO2/c1-6-4-7(8,5-9)2-3-10-6/h6,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyDRYXBCSMTMUUFD-NKWVEPMBSA-N
MW148.18 g/mol
LogP0.89
Rot. Bonds1

About [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol

[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol (PubChem CID 142391496) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
PubChem CID142391496
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)CCO1
InChIInChI=1S/C7H13FO2/c1-6-4-7(8,5-9)2-3-10-6/h6,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyDRYXBCSMTMUUFD-NKWVEPMBSA-N
XLogP0.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4,4-difluoro-2-methyloxane
CID 125450788
(1-fluoro-3-methylcyclobutyl)methanol
CID 176834219
4-amino-2-methyloxane-4-carboxylic acid
CID 10855758
(2R,3S,5R)-5-methyl-6-oxaspiro[2.5]octane-2-carboxylic acid
CID 124708919
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
4-ethynyl-2-methyloxan-4-ol
CID 45079336
[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
CID 153447617
2-methyl-4,4-diphenyloxane
CID 152721447
4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
CID 79126205
2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
CID 126999258
2-methyl-4-prop-1-ynyloxan-4-ol
CID 126977531
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol?
The IUPAC name of [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol (CID 142391496) is [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol is C[C@H]1C[C@@](F)(CO)CCO1.
What is the InChIKey of [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol?
The InChIKey is DRYXBCSMTMUUFD-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13FO2/c1-6-4-7(8,5-9)2-3-10-6/h6,9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol?
[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol has a molecular weight of 148.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol is sourced from PubChem (CID 142391496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).