(2S,3R)-3-fluoro-2-phenyloxane

C11H13FO — CID 102315049

IUPAC(2S,3R)-3-fluoro-2-phenyloxane
SMILESF[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C11H13FO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m1/s1
InChIKeyRQYDJYUFRWXZPJ-MNOVXSKESA-N
MW180.22 g/mol
LogP2.88
Rot. Bonds1

About (2S,3R)-3-fluoro-2-phenyloxane

(2S,3R)-3-fluoro-2-phenyloxane (PubChem CID 102315049) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-phenyloxane.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-phenyloxane
PubChem CID102315049
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2S,3R)-3-fluoro-2-phenyloxane
SMILESF[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C11H13FO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m1/s1
InChIKeyRQYDJYUFRWXZPJ-MNOVXSKESA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-phenyloxan-3-amine
CID 131044940
(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
(2S,3S)-N-methyl-2-phenyloxan-3-amine
CID 95562331
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
CID 102080205
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
2-phenyl-1,3-dioxonane
CID 70602118
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
(4S,4aR,8aR)-4-phenyl-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-2-one
CID 100857230
(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728
(2R,3R)-3-phenyloxane-2-carboxylic acid
CID 136589536

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-phenyloxane?
The IUPAC name of (2S,3R)-3-fluoro-2-phenyloxane (CID 102315049) is (2S,3R)-3-fluoro-2-phenyloxane.
What is the SMILES notation for (2S,3R)-3-fluoro-2-phenyloxane?
The canonical SMILES for (2S,3R)-3-fluoro-2-phenyloxane is F[C@@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-fluoro-2-phenyloxane?
The InChIKey is RQYDJYUFRWXZPJ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13FO/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-3-fluoro-2-phenyloxane?
(2S,3R)-3-fluoro-2-phenyloxane has a molecular weight of 180.22 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-phenyloxane is sourced from PubChem (CID 102315049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).