(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine

C11H22FNO — CID 126847898

IUPAC(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine
SMILESCCCCCC(C)N[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-3-4-5-6-9(2)13-11-8-14-7-10(11)12/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyRPFCUZSDLLHAFP-FHZGLPGMSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds6

About (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine

(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine (PubChem CID 126847898) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine
PubChem CID126847898
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine
SMILESCCCCCC(C)N[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-3-4-5-6-9(2)13-11-8-14-7-10(11)12/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyRPFCUZSDLLHAFP-FHZGLPGMSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
CID 43223044
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-heptan-2-ylcycloheptanamine
CID 43082272
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
2-(octan-2-ylamino)cyclopentane-1-carbonitrile
CID 62743523

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine (CID 126847898) is (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine is CCCCCC(C)N[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine?
The InChIKey is RPFCUZSDLLHAFP-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-4-5-6-9(2)13-11-8-14-7-10(11)12/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine?
(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine is sourced from PubChem (CID 126847898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).