(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine

C13H18F3NS — CID 112745653

IUPAC(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1cscc1C(F)(F)F
InChIInChI=1S/C13H18F3NS/c1-9(2)17-6-4-5-10(3)11-7-18-8-12(11)13(14,15)16/h5,7-9,17H,4,6H2,1-3H3/b10-5-
InChIKeyKVWDPNNCPABRRC-YHYXMXQVSA-N
MW277.35 g/mol
LogP4.56
Rot. Bonds5

About (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine

(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine (PubChem CID 112745653) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine
PubChem CID112745653
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1cscc1C(F)(F)F
InChIInChI=1S/C13H18F3NS/c1-9(2)17-6-4-5-10(3)11-7-18-8-12(11)13(14,15)16/h5,7-9,17H,4,6H2,1-3H3/b10-5-
InChIKeyKVWDPNNCPABRRC-YHYXMXQVSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine (CID 112745653) is (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine is C/C(=C/CCNC(C)C)c1cscc1C(F)(F)F.
What is the InChIKey of (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine?
The InChIKey is KVWDPNNCPABRRC-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-9(2)17-6-4-5-10(3)11-7-18-8-12(11)13(14,15)16/h5,7-9,17H,4,6H2,1-3H3/b10-5-.
What are the key properties of (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine?
(Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine has a molecular weight of 277.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yl-4-[4-(trifluoromethyl)thiophen-3-yl]pent-3-en-1-amine is sourced from PubChem (CID 112745653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).