(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine

C10H20FN — CID 167204705

IUPAC(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine
SMILESCC/C=C\N[C@H](C)CC(F)CC
InChIInChI=1S/C10H20FN/c1-4-6-7-12-9(3)8-10(11)5-2/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6-/t9-,10?/m1/s1
InChIKeyFNIYSQLTZORACV-LCHWLVHTSA-N
MW173.28 g/mol
LogP3.03
Rot. Bonds6

About (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine

(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine (PubChem CID 167204705) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine
PubChem CID167204705
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine
SMILESCC/C=C\N[C@H](C)CC(F)CC
InChIInChI=1S/C10H20FN/c1-4-6-7-12-9(3)8-10(11)5-2/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6-/t9-,10?/m1/s1
InChIKeyFNIYSQLTZORACV-LCHWLVHTSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine?
The IUPAC name of (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine (CID 167204705) is (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine.
What is the SMILES notation for (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine?
The canonical SMILES for (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine is CC/C=C\N[C@H](C)CC(F)CC.
What is the InChIKey of (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine?
The InChIKey is FNIYSQLTZORACV-LCHWLVHTSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-6-7-12-9(3)8-10(11)5-2/h6-7,9-10,12H,4-5,8H2,1-3H3/b7-6-/t9-,10?/m1/s1.
What are the key properties of (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine?
(2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine has a molecular weight of 173.28 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-but-1-enyl]-4-fluorohexan-2-amine is sourced from PubChem (CID 167204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).