(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine

C14H26FNO — CID 134408104

IUPAC(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine
SMILESC=C(CNC(CC)[C@@H](C)F)C1CCC[C@H](C)O1
InChIInChI=1S/C14H26FNO/c1-5-13(12(4)15)16-9-10(2)14-8-6-7-11(3)17-14/h11-14,16H,2,5-9H2,1,3-4H3/t11-,12+,13?,14?/m0/s1
InChIKeyOIBMBCPJOMIUFX-MRFVTOPCSA-N
MW243.37 g/mol
LogP3.23
Rot. Bonds6

About (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine

(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine (PubChem CID 134408104) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine.

Molecular Properties

Compound Name(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine
PubChem CID134408104
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine
SMILESC=C(CNC(CC)[C@@H](C)F)C1CCC[C@H](C)O1
InChIInChI=1S/C14H26FNO/c1-5-13(12(4)15)16-9-10(2)14-8-6-7-11(3)17-14/h11-14,16H,2,5-9H2,1,3-4H3/t11-,12+,13?,14?/m0/s1
InChIKeyOIBMBCPJOMIUFX-MRFVTOPCSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine?
The IUPAC name of (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine (CID 134408104) is (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine.
What is the SMILES notation for (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine?
The canonical SMILES for (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine is C=C(CNC(CC)[C@@H](C)F)C1CCC[C@H](C)O1.
What is the InChIKey of (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine?
The InChIKey is OIBMBCPJOMIUFX-MRFVTOPCSA-N. The full InChI is InChI=1S/C14H26FNO/c1-5-13(12(4)15)16-9-10(2)14-8-6-7-11(3)17-14/h11-14,16H,2,5-9H2,1,3-4H3/t11-,12+,13?,14?/m0/s1.
What are the key properties of (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine?
(2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine has a molecular weight of 243.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-N-[2-[(6S)-6-methyloxan-2-yl]prop-2-enyl]pentan-3-amine is sourced from PubChem (CID 134408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).